CID 3042378

N-cyclopropyldesoxyvincaminamide

Structural Information

Molecular Formula
C23H29N3O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)C(=O)NC6CC6
InChI
InChI=1S/C23H29N3O/c1-2-23-11-5-12-25-13-10-17-16-6-3-4-7-18(16)26(20(17)21(23)25)19(14-23)22(27)24-15-8-9-15/h3-4,6-7,15,19,21H,2,5,8-14H2,1H3,(H,24,27)/t19-,21-,23+/m1/s1
InChIKey
GEDFWVDKXAESRN-LSWJPFSZSA-N
Compound name
(15S,17R,19S)-N-cyclopropyl-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.23105 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.23833 187.6
[M+Na]+ 386.22027 201.4
[M+NH4]+ 381.26487 199.5
[M+K]+ 402.19421 193.6
[M-H]- 362.22377 198.9
[M+Na-2H]- 384.20572 193.3
[M]+ 363.23050 194.1
[M]- 363.23160 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe